EcoDrugPlus


Synonyms	Grafapex Graftrevo Kepcondi NSC-39069 Ovastat Threosulphan Trecondi Trecondyv Treograft Treosulfan
Status
Molecule Category	Free-form
ATC	L01AB02
UNII	CO61ER3EPI


InChI Key	YCPOZVAOBBQLRI-WDSKDSINSA-N
Smiles	CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O
InChI	InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1

Property Name	Value
Molecular Formula	C6H14O8S2
Molecular Weight	278.3
AlogP	-2.34
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	127.2
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	16.0

Resources	Reference
ChEBI	82557
ChEMBL	CHEMBL455186
DrugBank	DB11678
DrugCentral	2718
FDA SRS	CO61ER3EPI
Guide to Pharmacology	8281
KEGG	C19557
PubChem	9882105
SureChEMBL	SCHEMBL5399430
ZINC	ZINC000001671094

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TREOSULFAN

Structure

Physicochemical Descriptors

Related Entries

Cross References